2-[1-(carboxymethylsulfanyl)-1-(4-methylphenyl)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(carboxymethylsulfanyl)-1-(4-methylphenyl)ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(carboxymethylsulfanyl)-1-(p-tolyl)ethyl]sulfanylacetic acid CAS Name: 2-[[1-(carboxymethylthio)-1-(4-methylphenyl)ethyl]thio]acetic acid IUPAC Name: 2-[1-(carboxymethylsulfanyl)-1-(4-methylphenyl)ethyl]sulfanylacetic acid Traditional Name: 2-[[1-(carboxymethylthio)-1-(p-tolyl)ethyl]thio]acetic acid Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C13H16O4S2/c1-9-3-5-10(6-4-9)13(2,18-7-11(14)15)19-8-12(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)